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1214323-29-1 molecular structure
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2-(difluoromethoxy)-5-phenylpyridine

ChemBase ID: 795783
Molecular Formular: C12H9F2NO
Molecular Mass: 221.2027664
Monoisotopic Mass: 221.06522035
SMILES and InChIs

SMILES:
n1c(ccc(c1)c1ccccc1)OC(F)F
Canonical SMILES:
FC(Oc1ccc(cn1)c1ccccc1)F
InChI:
InChI=1S/C12H9F2NO/c13-12(14)16-11-7-6-10(8-15-11)9-4-2-1-3-5-9/h1-8,12H
InChIKey:
QCPMLHSAFSOCPI-UHFFFAOYSA-N

Cite this record

CBID:795783 http://www.chembase.cn/molecule-795783.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(difluoromethoxy)-5-phenylpyridine
IUPAC Traditional name
2-(difluoromethoxy)-5-phenylpyridine
Synonyms
2-(DifluoroMethoxy)-5-phenylpyridine
CAS Number
1214323-29-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O547 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O547 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7662675  LogD (pH = 7.4) 3.7663424 
Log P 3.7663434  Molar Refractivity 55.8229 cm3
Polarizability 22.2775 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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